N-methyl-N-(2-methylpropyl)-2-oxoacetamide

C7H13NO2 — CID 115165999

IUPACN-methyl-N-(2-methylpropyl)-2-oxoacetamide
SMILESCC(C)CN(C)C(=O)C=O
InChIInChI=1S/C7H13NO2/c1-6(2)4-8(3)7(10)5-9/h5-6H,4H2,1-3H3
InChIKeyBFDYPRKNHPPHBM-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.30
Rot. Bonds3

About N-methyl-N-(2-methylpropyl)-2-oxoacetamide

N-methyl-N-(2-methylpropyl)-2-oxoacetamide (PubChem CID 115165999) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-methyl-N-(2-methylpropyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylpropyl)-2-oxoacetamide
PubChem CID115165999
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-methyl-N-(2-methylpropyl)-2-oxoacetamide
SMILESCC(C)CN(C)C(=O)C=O
InChIInChI=1S/C7H13NO2/c1-6(2)4-8(3)7(10)5-9/h5-6H,4H2,1-3H3
InChIKeyBFDYPRKNHPPHBM-UHFFFAOYSA-N
XLogP0.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylpropyl)-2-oxoacetamide?
The IUPAC name of N-methyl-N-(2-methylpropyl)-2-oxoacetamide (CID 115165999) is N-methyl-N-(2-methylpropyl)-2-oxoacetamide.
What is the SMILES notation for N-methyl-N-(2-methylpropyl)-2-oxoacetamide?
The canonical SMILES for N-methyl-N-(2-methylpropyl)-2-oxoacetamide is CC(C)CN(C)C(=O)C=O.
What is the InChIKey of N-methyl-N-(2-methylpropyl)-2-oxoacetamide?
The InChIKey is BFDYPRKNHPPHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6(2)4-8(3)7(10)5-9/h5-6H,4H2,1-3H3.
What are the key properties of N-methyl-N-(2-methylpropyl)-2-oxoacetamide?
N-methyl-N-(2-methylpropyl)-2-oxoacetamide has a molecular weight of 143.19 g/mol, XLogP of 0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpropyl)-2-oxoacetamide is sourced from PubChem (CID 115165999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).